ChEMBL (bioactivity)

About this source

Find a molecule, then list its measured IC50, Ki and EC50 values with target, organism, assay and the source paper, most potent first. Curated mechanisms of action for approved drugs, and target search. The standard source for medicinal chemistry and SAR questions.

Questions you can ask ChEMBL

Type them into Kahubi’s chat once the source is connected.

What the assistant can do with it

The 4 tools this server offers to Kahubi. The assistant picks the right one for each question.

• chembl_search_molecules

  Find molecules by name or synonym.

• chembl_activities

  Measured bioactivities of a molecule (IC50, Ki, EC50 …) with target, organism, assay description and source.

• chembl_mechanisms

  Curated mechanisms of action for a drug: action type, target, references.

• chembl_search_targets

  Find biological targets (proteins, complexes, organisms) by name.

Good to know

• Hosted by Kahubi. Kahubi runs this server itself so it stays reliable enough for research use.
• Cited, checkable answers. Results are treated as retrieved material and cited with the source’s own identifiers, so you can open every record the answer relied on.
• Your files stay private. Only the search the assistant writes for your question is sent to ChEMBL.

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• OPSIN (name to structure)Turns a systematic IUPAC name into a structure by rule, also for compounds no database lists.
• Crystallography Open DatabaseOver 500,000 open-access crystal structures: organic, inorganic, metal-organic and minerals.
• Rhea (biochemical reactions)Expert-curated, balanced biochemical reactions linked to enzymes and ChEBI compounds.